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Substance Name: Dibenzo(b,f)thiepin-10-carbonitrile, 10,11-dihydro-10-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)-
RN: 99756-35-1
InChIKey: YTPATQVZEIPRQD-UHFFFAOYSA-N

Classification Code

  • Drug / Therapeutic Agent

Molecular Formula

  • C31-H32-N4-O-S

Molecular Weight

  • 508.6868
 
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Names and Synonyms

Synonym

  • BRN 4619881

Systematic Name

  • Dibenzo(b,f)thiepin-10-carbonitrile, 10,11-dihydro-10-(3-(4-oxo-1-phenyl-1,3,8-triazaspiro(4.5)dec-8-yl)propyl)-

Registry Numbers

CAS Registry Number

  • 99756-35-1

System Generated Number

  • 0099756351

Structure Descriptors

InChI

1S/C31H32N4OS/c32-22-30(21-24-9-4-6-13-27(24)37-28-14-7-5-12-26(28)30)15-8-18-34-19-16-31(17-20-34)29(36)33-23-35(31)25-10-2-1-3-11-25/h1-7,9-14H,8,15-21,23H2,(H,33,36)

InChIKey

YTPATQVZEIPRQD-UHFFFAOYSA-N

Smiles

c1ccc(cc1)N2CNC(=O)C23CCN(CC3)CCCC4(Cc5ccccc5Sc6c4cccc6)C#N

Toxicity

Organism Test Type Route Reported Dose (Normalized Dose) Effect Source
mouse LD oral > 500mg/kg (500mg/kg)   Collection of Czechoslovak Chemical Communications. Vol. 50, Pg. 1089, 1985.